Geometry & MOs

Info

ID:	338673
PubChem CID:	127259684
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	2.78
Dipole, Da:	4.31
IP(EA), eV:	-9.59(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[(E)-3-phenylprop-2-enoyl]benzamide

Drug info:

PubChemData

Smile

CCCCONC(=O)C1=CC=C(C=C1)/C=C/C2=NC=C(N2C)[N+](=O)[O-]

DOS

IR

Vibrations