Geometry & MOs

Info

ID:	138557
PubChem CID:	52384901
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-131.9
Dipole, Da:	7.35
IP(EA), eV:	-8.38(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C)N[C@@H](C)C(=O)NC(=O)NCC

DOS

IR

Vibrations