Geometry & MOs

Info

ID:	279035
PubChem CID:	103840678
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	8.66
IP(EA), eV:	-9.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazepan-1-yl-(1-methylcyclohexyl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=O)C2=C(N1)CCOC2

DOS

IR

Vibrations