Geometry & MOs

Info

ID:	132890
PubChem CID:	51440603
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	341.069734
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	7.18
IP(EA), eV:	-9.13(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN[C@@H]2CCCC[C@H]2C(=O)O

DOS

IR

Vibrations