Geometry & MOs

Info

ID:	198004
PubChem CID:	79030251
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	6.27
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpyridin-3-yl)-1-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC=C2C(=O)N3CCC[C@@H]3CO

DOS

IR

Vibrations