Geometry & MOs

Info

ID:	349578
PubChem CID:	127275730
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	1.81
IP(EA), eV:	-8.56(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCCCC1)NC(=O)N2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations