Geometry & MOs

Info

ID:	373534
PubChem CID:	131316585
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	215.067032
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	6.31
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2,2-trifluoro-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC#N)C(C(=O)C)Cl

DOS

IR

Vibrations