Geometry & MOs

Info

ID:	243839
PubChem CID:	99289118
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	391.121818
ΔH_f, kcal/mol:	-3.59
Dipole, Da:	2.71
IP(EA), eV:	-9.32(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N(C)C2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations