Geometry & MOs

Info

ID:	356067
PubChem CID:	127291103
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	283.225977
ΔH_f, kcal/mol:	-131.31
Dipole, Da:	6.07
IP(EA), eV:	-9.37(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCC(CC2)OCCC3=CC=CC=C3

DOS

IR

Vibrations