Geometry & MOs

Info

ID:	349292
PubChem CID:	127275079
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	171.162314
ΔH_f, kcal/mol:	-132.27
Dipole, Da:	5.61
IP(EA), eV:	-9.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2-methylpropyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3C

DOS

IR

Vibrations