Geometry & MOs

Info

ID:	196518
PubChem CID:	78841083
Reduced:	Cl2O2N3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-87.0
Dipole, Da:	6.44
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-4-methylcyclohexyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C)N(C)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations