Geometry & MOs

Info

ID:	346307
PubChem CID:	127270811
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-23.76
Dipole, Da:	4.58
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=C(C=C2)C(=O)NC3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations