Geometry & MOs

Info

ID:	346623
PubChem CID:	127271127
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	5.16
IP(EA), eV:	-9.66(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxolan-2-yl)propan-2-yl]isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)NC(C)CC3CCCO3

DOS

IR

Vibrations