Geometry & MOs

Info

ID:	39858
PubChem CID:	8142583
Reduced:	SN4O4H16C20 (1)
Stoich.:	AB4C4D16E20 (1)
Weight, g/mol:	377.234137
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	8.77
IP(EA), eV:	-9.1(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)N/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations