Geometry & MOs

Info

ID:	166831
PubChem CID:	74740769
Reduced:	ClO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	409.260351
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	3.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.172125
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(2,5-dimethylanilino)-2-oxoacetyl]amino]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)N(CCC3)C)[NH+](C)C)Cl

DOS

IR

Vibrations