Geometry & MOs

Info

ID:	196614
PubChem CID:	78853880
Reduced:	ClON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	30.27
Dipole, Da:	5.6
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxypropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCN(C1=C(C=CC(=C1)C)C)C(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations