Geometry & MOs

Info

ID:

181683

PubChem CID:

76774699

Reduced:

NF3O4C29H40 (1)

Stoich.:

AB3C4D29E40 (1)

Weight, g/mol:

464.242356

ΔHf, kcal/mol:

-287.23

Dipole, Da:

3.95

IP(EA), eV:

 -9.15(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[[4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-7-(2-methoxyethoxy)-6-methylidenequinazolin-2-ylidene]-4-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC12CC(C3(C(C1CC4C2(CN(C4)CCC(C)(C)C)C(=O)OCF)CC(C5=CC(=O)C=CC53C)F)F)O

DOS

IR

Vibrations