Geometry & MOs

Info

ID:	271765
PubChem CID:	103691132
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-207.94
Dipole, Da:	6.95
IP(EA), eV:	-9.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NCC2CCCC(C2)O)C

DOS

IR

Vibrations