Geometry & MOs

Info

ID:

184616

PubChem CID:

77183962

Reduced:

SN8O9C34H46 (1)

Stoich.:

AB8C9D34E46 (1)

Weight, g/mol:

374.231791

ΔHf, kcal/mol:

-308.0

Dipole, Da:

9.47

IP(EA), eV:

 -9.11(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(imidazolidin-1-ylmethyl)phenyl]-5,7-dimethoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1CCC2C1CN(C2)C3=CN=C(C(=N3)C4=NN=C(O4)C5=CC=C(C=C5)CN(C)C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations