Geometry & MOs

Info

ID:	437332
PubChem CID:	135224904
Reduced:	O3N4C34H44 (1)
Stoich.:	A3B4C34D44 (1)
Weight, g/mol:	245.123821
ΔH_f, kcal/mol:	-89.77
Dipole, Da:	0.42
IP(EA), eV:	-8.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-4-(trimethyl-lambda4-sulfanyl)aniline

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OCN2CCCC3=C2N=C(C=C3)OCCCCN4CCN(CC4)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations