Geometry & MOs

Info

ID:	348949
PubChem CID:	127274674
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	3.08
IP(EA), eV:	-9.02(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations