Geometry & MOs

Info

ID:	194146
PubChem CID:	78491501
Reduced:	ON3C21H30 (1)
Stoich.:	AB3C21D30 (1)
Weight, g/mol:	417.213795
ΔH_f, kcal/mol:	7.36
Dipole, Da:	3.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021293
Charge, e:	1

Chem-info

IUPAC name:

[2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations