Geometry & MOs

Info

ID:	273270
PubChem CID:	103770800
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	4.57
IP(EA), eV:	-10.06(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations