Geometry & MOs

Info

ID:	354727
PubChem CID:	127287426
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-126.03
Dipole, Da:	4.36
IP(EA), eV:	-9.32(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)NCC2CCN(CC2)C(=O)C

DOS

IR

Vibrations