Geometry & MOs

Info

ID:	28691
PubChem CID:	828993
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	3.57
IP(EA), eV:	-8.8(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 3-(phenylcarbamoyl)pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](COC)NCC1=CC(=CC=C1)OC2=CC=CC=C2

DOS

IR

Vibrations