Geometry & MOs

Info

ID:	327631
PubChem CID:	126690563
Reduced:	OSCl2N4C16H22 (1)
Stoich.:	ABC2D4E16F22 (1)
Weight, g/mol:	226.123676
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	5.07
IP(EA), eV:	-8.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-6-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)NC(C2(CSC3[C@H]2NC=N[C@@H]3N)C)O)Cl)C

DOS

IR

Vibrations