Geometry & MOs

Info

ID:	200099
PubChem CID:	79348133
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	349.04998
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	3.66
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCCNCC=CC1=CC2=C(C(=C1)Cl)OCCCO2

DOS

IR

Vibrations