Geometry & MOs

Info

ID:	403030
PubChem CID:	135058420
Reduced:	NOC25H33 (1)
Stoich.:	ABC25D33 (1)
Weight, g/mol:	354.21297
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	2.97
IP(EA), eV:	-8.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclohexyl-(2-phenyl-1,3-thiazol-4-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

CC(C)(C)/C=C/C1=CC(=CC(=C1C2=CC=CC=C2N)/C=C/C(C)(C)C)OC

DOS

IR

Vibrations