Geometry & MOs

Info

ID:	194155
PubChem CID:	78491704
Reduced:	N4O4C22H29 (1)
Stoich.:	A4B4C22D29 (1)
Weight, g/mol:	346.249452
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	9.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141296
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations