Geometry & MOs

Info

ID:	197742
PubChem CID:	78990671
Reduced:	N7C13H17 (1)
Stoich.:	A7B13C17 (1)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	100.4
Dipole, Da:	2.14
IP(EA), eV:	-8.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyphenyl)-N-(1H-pyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC2=C3C=NN(C3=NC=N2)C

DOS

IR

Vibrations