Geometry & MOs

Info

ID:	188017
PubChem CID:	77654136
Reduced:	FO2N5C22H34 (1)
Stoich.:	AB2C5D22E34 (1)
Weight, g/mol:	419.269654
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	8.54
IP(EA), eV:	-9.23(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2C(CC(C1N3CCC(C3)CN(C)C(C)CC#N)F)C(=O)NC(=O)N2C4CC4

DOS

IR

Vibrations