Geometry & MOs

Info

ID:	155278
PubChem CID:	56352862
Reduced:	O2S2N5H19C21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	432.288912
ΔH_f, kcal/mol:	50.75
Dipole, Da:	5.81
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-[[ethyl(propan-2-yl)amino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)N2C(=NNC2=S)C3=CC=CS3)OC4=CN=CC=C4

DOS

IR

Vibrations