Geometry & MOs

Info

ID:	271971
PubChem CID:	103707643
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	342.97971
ΔH_f, kcal/mol:	31.62
Dipole, Da:	6.18
IP(EA), eV:	-8.66(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-chlorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(C)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations