Geometry & MOs

Info

ID:	354022
PubChem CID:	127285679
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	310.200491
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	4.67
IP(EA), eV:	-8.68(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NCC2CCCCN2CC3=CC=CC=C3

DOS

IR

Vibrations