Geometry & MOs

Info

ID:	289474
PubChem CID:	104357157
Reduced:	BrClNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	376.94074
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	4.42
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C)C(C2=C(C(=CC=C2)Br)Cl)N

DOS

IR

Vibrations