Geometry & MOs

Info

ID:	64765
PubChem CID:	29203967
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	319.14514
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	4.49
IP(EA), eV:	-8.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

DOS

IR

Vibrations