Geometry & MOs

Info

ID:	242531
PubChem CID:	97301882
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	437.187005
ΔH_f, kcal/mol:	-11.46
Dipole, Da:	6.23
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(E)-2-amino-2-(3-chloro-2-methylphenyl)-1-pyridin-2-ylethenoxy]phenoxy]-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(COC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/[N+](=O)[O-])/C3=CC=C(C=C3)OC)N(C)C

DOS

IR

Vibrations