Geometry & MOs

Info

ID:	376169
PubChem CID:	134222174
Reduced:	O3N4H8C9 (1)
Stoich.:	A3B4C8D9 (1)
Weight, g/mol:	444.158011
ΔH_f, kcal/mol:	34.04
Dipole, Da:	5.62
IP(EA), eV:	-9.59(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]phenyl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=O)[N+](=O)[O-])N=CN=CN

DOS

IR

Vibrations