Geometry & MOs

Info

ID:	357013
PubChem CID:	127293079
Reduced:	FO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-121.39
Dipole, Da:	3.54
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4F

DOS

IR

Vibrations