Geometry & MOs

Info

ID:	202180
PubChem CID:	79639323
Reduced:	Cl2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	263.236148
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	3.86
IP(EA), eV:	-8.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations