Geometry & MOs

Info

ID:	195786
PubChem CID:	78732378
Reduced:	N3O5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-54.21
Dipole, Da:	2.64
IP(EA), eV:	-8.74(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylpyrazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations