Geometry & MOs

Info

ID:	82273
PubChem CID:	49855833
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	4.63
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyano-2-(1-cyclopropylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CCC3=C(CC2)C=C(C=C3)C(=O)NO

DOS

IR

Vibrations