Geometry & MOs

Info

ID:	265119
PubChem CID:	103510684
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	4.41
IP(EA), eV:	-9.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylimidazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(=O)O)NC(=O)C1=CN=CN1C

DOS

IR

Vibrations