Geometry & MOs

Info

ID:	198641
PubChem CID:	79128620
Reduced:	ClNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	213.209264
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	2.48
IP(EA), eV:	-8.11(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)SCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations