Geometry & MOs

Info

ID:	356124
PubChem CID:	127291160
Reduced:	N3O4C15H25 (1)
Stoich.:	A3B4C15D25 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-184.93
Dipole, Da:	2.94
IP(EA), eV:	-9.2(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(oxan-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations