Geometry & MOs

Info

ID:	287936
PubChem CID:	104300995
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	279.084849
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	3.97
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCCO3)N)Cl

DOS

IR

Vibrations