Geometry & MOs

Info

ID:	349309
PubChem CID:	127275096
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-131.61
Dipole, Da:	3.73
IP(EA), eV:	-8.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CCN2C(=O)CNC2=O

DOS

IR

Vibrations