Geometry & MOs

Info

ID:	164417
PubChem CID:	74397554
Reduced:	O6N7C26H35 (1)
Stoich.:	A6B7C26D35 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-151.45
Dipole, Da:	10.59
IP(EA), eV:	-6.92(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) 1-cyano-1-(2-methylprop-2-enyl)isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)C)N)C(=C2C(=[N+](C(=O)N(C2=O)C)C)N)C3=CC(=C(C=C3)OCCN4CCCC4)OC

DOS

IR

Vibrations