Geometry & MOs

Info

ID:	303035
PubChem CID:	124489129
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	3.73
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CC=NC=C3)C(=O)N

DOS

IR

Vibrations