Geometry & MOs

Info

ID:	287947
PubChem CID:	104301653
Reduced:	BrClON2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	308.084704
ΔH_f, kcal/mol:	51.87
Dipole, Da:	4.2
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-methylphenyl)-2-(3-chloropyridin-4-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(=C2C3=CC=CC=C3Br)N)Cl

DOS

IR

Vibrations