Geometry & MOs

Info

ID:	30364
PubChem CID:	841197
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-38.95
Dipole, Da:	6.42
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2OC)C)[N+](=O)[O-]

DOS

IR

Vibrations