Geometry & MOs

Info

ID:	268321
PubChem CID:	103598910
Reduced:	O3N4H14C15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	34.4
Dipole, Da:	6.91
IP(EA), eV:	-9.58(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butoxy-3-ethoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1NN=C2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations