Geometry & MOs

Info

ID:	302684
PubChem CID:	124391983
Reduced:	ClN3O5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	448.118985
ΔH_f, kcal/mol:	-39.19
Dipole, Da:	6.31
IP(EA), eV:	-8.46(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)/C=N/NC(=O)CC3=CC=CC=C3[N+](=O)[O-])OC

DOS

IR

Vibrations