Geometry & MOs

Info

ID:	73557
PubChem CID:	48418130
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	2.0
IP(EA), eV:	-8.49(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-ethoxyphenoxy)acetyl]-1-methoxyisoquinoline-3-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)NNC(=O)C(C)N2CCC3=CC=CC=C32

DOS

IR

Vibrations