Geometry & MOs

Info

ID:	349074
PubChem CID:	127274800
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	56.59
Dipole, Da:	2.57
IP(EA), eV:	-8.8(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3,5-trimethylcyclohexyl)acetyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations