Geometry & MOs

Info

ID:	358458
PubChem CID:	127296054
Reduced:	ON5C23H37 (1)
Stoich.:	AB5C23D37 (1)
Weight, g/mol:	399.299811
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	6.0
IP(EA), eV:	-8.33(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations