Geometry & MOs

Info

ID:	82117
PubChem CID:	49855638
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	1.94
IP(EA), eV:	-9.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(2-methylbut-3-enoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCC3=C(C2)C=CC(=C3)C(=O)NO

DOS

IR

Vibrations