Geometry & MOs

Info

ID:	436264
PubChem CID:	135196246
Reduced:	ClN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	380.068544
ΔH_f, kcal/mol:	74.25
Dipole, Da:	1.93
IP(EA), eV:	-8.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-amino-1-chloro-3-pyridin-3-yliminoprop-1-en-2-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CCN(C)C1=CN(N=C1Cl)C2=CN=CC=C2

DOS

IR

Vibrations