Geometry & MOs

Info

ID:	253694
PubChem CID:	103120051
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-5.17
Dipole, Da:	4.73
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(C1)NC(=O)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations