Geometry & MOs

Info

ID:	64059
PubChem CID:	29195923
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	1.74
IP(EA), eV:	-9.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(2R)-butan-2-yl]-3-(2-methoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

DOS

IR

Vibrations