Geometry & MOs

Info

ID:

188018

PubChem CID:

77654137

Reduced:

FO2N5C22H34 (1)

Stoich.:

AB2C5D22E34 (1)

Weight, g/mol:

419.269654

ΔHf, kcal/mol:

-102.83

Dipole, Da:

7.31

IP(EA), eV:

 -9.07(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-7-yl)pyrrolidin-3-yl]-2,2-dimethyl-3-(methylamino)propanenitrile

Drug info:

PubChemData

Smile

CC1C(C(CC2C1N(C(=O)NC2=O)C3CC3)F)C(C4CCNC4)N(C)C(C)CC#N

DOS

IR

Vibrations