Geometry & MOs

Info

ID:	358890
PubChem CID:	127296781
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	313.236542
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	4.75
IP(EA), eV:	-8.35(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylmorpholin-2-yl)methyl]-4-propoxyazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCCCC1C2=CC3=CC=CC=C3N2)N(C)C4CC4

DOS

IR

Vibrations