Geometry & MOs

Info

ID:	202140
PubChem CID:	79634689
Reduced:	BrOSN3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	271.262363
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	2.44
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)ethyl-methylamino]-1-(propylamino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)NC1(CCCC(C1)SC2=NC=C(C=C2)Br)C(=O)N

DOS

IR

Vibrations