Geometry & MOs

Info

ID:	194152
PubChem CID:	78491675
Reduced:	ON4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	412.260017
ΔH_f, kcal/mol:	5.3
Dipole, Da:	8.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.149798
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC=CC=C2)[NH+]3CCCC3

DOS

IR

Vibrations