Geometry & MOs

Info

ID:	194147
PubChem CID:	78491502
Reduced:	N4O5C21H29 (1)
Stoich.:	A4B5C21D29 (1)
Weight, g/mol:	380.129643
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	6.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.123968
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2,4-dichlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations