Geometry & MOs

Info

ID:	353195
PubChem CID:	127284375
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-122.18
Dipole, Da:	3.02
IP(EA), eV:	-9.37(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylcyclohexyl)acetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1CC(=O)N2CCCN(CC2)C(=O)N

DOS

IR

Vibrations