Geometry & MOs

Info

ID:

164664

PubChem CID:

74434440

Reduced:

N8O9C40H74 (1)

Stoich.:

A8B9C40D74 (1)

Weight, g/mol:

373.181313

ΔHf, kcal/mol:

-535.06

Dipole, Da:

15.66

IP(EA), eV:

 -9.77(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(1,3-difluoropropan-2-yloxy)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]piperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)O)N

DOS

IR

Vibrations