Geometry & MOs

Info

ID:	356127
PubChem CID:	127291163
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-83.24
Dipole, Da:	1.28
IP(EA), eV:	-9.18(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(oxan-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations