Geometry & MOs

Info

ID:	29514
PubChem CID:	834627
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	293.064113
ΔH_f, kcal/mol:	32.38
Dipole, Da:	5.17
IP(EA), eV:	-8.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methoxy-N-[(4-methylsulfanylphenyl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(N(C2=CC=CC=C12)C(=S)N)(C)C

DOS

IR

Vibrations