Geometry & MOs

Info

ID:	319579
PubChem CID:	126656699
Reduced:	ClPN6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	320.319149
ΔH_f, kcal/mol:	100.83
Dipole, Da:	4.83
IP(EA), eV:	-8.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-bicyclo[2.2.1]heptanyl)ethyl-ethylamino]methyl]-N-ethyl-N-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=C(C=C2N(C)PC)N(C)C3=C(N=C(C=C3)C#N)Cl

DOS

IR

Vibrations