Geometry & MOs

Info

ID:	353141
PubChem CID:	127284321
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	337.272927
ΔH_f, kcal/mol:	-123.1
Dipole, Da:	3.24
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-3-methyl-2-piperidin-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCN(C2)C(=O)C3=C4C(=CC=C3)NC(=O)C(O4)C

DOS

IR

Vibrations