Geometry & MOs

Info

ID:	343323
PubChem CID:	127266496
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	4.73
IP(EA), eV:	-9.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(1-methylpyrazol-4-yl)ethylamino]-3-oxoprop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)C(=O)C=CC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations