Geometry & MOs

Info

ID:	235983
PubChem CID:	92711303
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	346.112899
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	4.93
IP(EA), eV:	-8.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-[(2,4-difluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N2CCC3=CC=CC=C3[C@@H]2CC(=O)O)C

DOS

IR

Vibrations