Geometry & MOs

Info

ID:	268178
PubChem CID:	103598235
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-138.52
Dipole, Da:	3.21
IP(EA), eV:	-9.39(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-[(3-pyridin-4-ylprop-2-enoylamino)methyl]benzamide

Drug info:

PubChemData

Smile

CCC=CCOC(=O)COC1=CC=C(C=C1)C(=O)CC

DOS

IR

Vibrations