Geometry & MOs

Info

ID:	271143
PubChem CID:	103645144
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	2.57
Dipole, Da:	0.52
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-propan-2-ylcyclohexyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)C1CCCC(C1)NCC2=CSC=N2

DOS

IR

Vibrations