Geometry & MOs

Info

ID:	202078
PubChem CID:	79625669
Reduced:	N3C17H29 (1)
Stoich.:	A3B17C29 (1)
Weight, g/mol:	275.236148
ΔH_f, kcal/mol:	-6.35
Dipole, Da:	1.64
IP(EA), eV:	-8.62(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)N2CCCC3C2CCC3)C#N

DOS

IR

Vibrations