Geometry & MOs

Info

ID:	127353
PubChem CID:	50999529
Reduced:	O2N3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	2.26
IP(EA), eV:	-8.53(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopyrazol-1-yl)-1-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)OC)N

DOS

IR

Vibrations