Geometry & MOs

Info

ID:	305651
PubChem CID:	124963754
Reduced:	N3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	478.170414
ΔH_f, kcal/mol:	91.23
Dipole, Da:	1.94
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-difluorophenyl)methyl-[(3R)-2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)[C@@H]2CCCN(C2)CC3=CN=CC=C3)C4=NC=CN4C

DOS

IR

Vibrations