Geometry & MOs

Info

ID:	197187
PubChem CID:	78934350
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	350.04523
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	1.64
IP(EA), eV:	-8.58(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-aminoethyl]-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)OCC2=C(C=CC(=C2)C)OC)O

DOS

IR

Vibrations