Geometry & MOs

Info

ID:	330448
PubChem CID:	127247852
Reduced:	N2O2C7H12 (2)
Stoich.:	A2B2C7D12 (2)
Weight, g/mol:	325.200156
ΔH_f, kcal/mol:	-177.08
Dipole, Da:	2.96
IP(EA), eV:	-9.35(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[2-(1-hydroxycyclohexyl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)CC(=O)N2CCOCC2

DOS

IR

Vibrations