Geometry & MOs

Info

ID:	76081
PubChem CID:	48424402
Reduced:	N2O3C20H34 (1)
Stoich.:	A2B3C20D34 (1)
Weight, g/mol:	322.262028
ΔH_f, kcal/mol:	-145.61
Dipole, Da:	5.67
IP(EA), eV:	-9.26(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CCC2CCCCC2)OCC3CC3

DOS

IR

Vibrations