Geometry & MOs

Info

ID:	261156
PubChem CID:	103220499
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	376.9502
ΔH_f, kcal/mol:	21.29
Dipole, Da:	5.23
IP(EA), eV:	-9.39(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(3,5-dimethylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CC(C1)NC2=CC(=O)N(N=C2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations