Geometry & MOs

Info

ID:	423756
PubChem CID:	135120162
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	15.24
Dipole, Da:	5.09
IP(EA), eV:	-8.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)amino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC=C3CN(CC3=N2)C4=C(C=CC=N4)C(=O)N5CCCC5

DOS

IR

Vibrations