Geometry & MOs

Info

ID:	320312
PubChem CID:	126659492
Reduced:	NSO3C28H29 (1)
Stoich.:	ABC3D28E29 (1)
Weight, g/mol:	211.139471
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	7.42
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-phenyl-N-[(trimethyl-lambda4-sulfanyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=NOC(C1CSCCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(C)C(=O)O

DOS

IR

Vibrations