Geometry & MOs

Info

ID:	177884
PubChem CID:	76249579
Reduced:	ClN2O4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	6.68
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-butoxy-3-methoxyphenyl)prop-2-enoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)N(C)C(C)C)Cl)OC

DOS

IR

Vibrations