Geometry & MOs

Info

ID:	353404
PubChem CID:	127284780
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-115.02
Dipole, Da:	4.72
IP(EA), eV:	-8.67(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCNC(=O)CN1CCCCCC1=O)C2CCCC2

DOS

IR

Vibrations