Geometry & MOs

Info

ID:	330445
PubChem CID:	127247849
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	3.65
IP(EA), eV:	-9.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(1-ethylpiperidin-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2CCN(CC(C2)C(=O)N)C(=O)C

DOS

IR

Vibrations