Geometry & MOs

Info

ID:	205608
PubChem CID:	80125511
Reduced:	ClNSO2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	305.100499
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	1.61
IP(EA), eV:	-9.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[(3,5-dimethylphenyl)methylsulfanyl]ethyl]aniline

Drug info:

PubChemData

Smile

CC1(COC1)CNC(C2=CC=CO2)C3=CC=C(S3)Cl

DOS

IR

Vibrations