Geometry & MOs

Info

ID:	358206
PubChem CID:	127295751
Reduced:	ON5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	385.284161
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	5.22
IP(EA), eV:	-8.34(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations