Geometry & MOs

Info

ID:	39630
PubChem CID:	8141692
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-150.03
Dipole, Da:	6.5
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-di(propan-2-yl)phenyl]-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C

DOS

IR

Vibrations