Geometry & MOs

Info

ID:	59722
PubChem CID:	24894926
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-154.29
Dipole, Da:	6.61
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-4-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CO)N1CCC2=C(C1=O)C=CC=C2NC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations