Geometry & MOs

Info

ID:	366556
PubChem CID:	127320072
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-26.93
Dipole, Da:	7.5
IP(EA), eV:	-9.25(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-(2-oxoazepan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN=C2)C(=O)NC3CCCCNC3=O

DOS

IR

Vibrations