Geometry & MOs

Info

ID:	273904
PubChem CID:	103805766
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-93.79
Dipole, Da:	2.97
IP(EA), eV:	-9.19(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N[C@@H]1CCCC[C@H]1N)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations