Geometry & MOs

Info

ID:	177883
PubChem CID:	76249578
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	444.181585
ΔH_f, kcal/mol:	-129.38
Dipole, Da:	6.42
IP(EA), eV:	-8.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)N(C)C(C)C)OC

DOS

IR

Vibrations