Geometry & MOs

Info

ID:	401181
PubChem CID:	135050493
Reduced:	InC20H24 (1)
Stoich.:	AB20C24 (1)
Weight, g/mol:	285.155121
ΔH_f, kcal/mol:	110.12
Dipole, Da:	1.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.207804
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-phenylsulfanyl-N-propan-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

C[In-](C/C=C/C1=CC=CC=C1)(C/C=C/C2=CC=CC=C2)C

DOS

IR

Vibrations