Geometry & MOs

Info

ID:	358492
PubChem CID:	127296088
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-116.36
Dipole, Da:	5.32
IP(EA), eV:	-8.85(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCCC1=O)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations