Geometry & MOs

Info

ID:	290421
PubChem CID:	104489162
Reduced:	ClN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	238.123676
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	4.77
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-4-(3-propylpyrrolidin-1-yl)pyridine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C)N2CCC(C2)C(C)(C)C

DOS

IR

Vibrations