Geometry & MOs

Info

ID:	356027
PubChem CID:	127291056
Reduced:	O3N4C19H34 (1)
Stoich.:	A3B4C19D34 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-159.13
Dipole, Da:	1.77
IP(EA), eV:	-8.9(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyl)-N-(oxan-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations