Geometry & MOs

Info

ID:	3902
PubChem CID:	10384
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	7.12
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NCCCCN)O

DOS

IR

Vibrations