Geometry & MOs

Info

ID:	253745
PubChem CID:	103120364
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	4.69
IP(EA), eV:	-9.38(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-2-phenylpropan-2-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)CO)C(=O)C2=C3C=NC=CN3N=C2)C

DOS

IR

Vibrations