Geometry & MOs

Info

ID:	282611
PubChem CID:	103932809
Reduced:	BrClNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	4.63
IP(EA), eV:	-9.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-propoxyacetyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)NC(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations