Geometry & MOs

Info

ID:	366538
PubChem CID:	127320054
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-22.08
Dipole, Da:	5.86
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN=C2)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations