Geometry & MOs

Info

ID:	349305
PubChem CID:	127275092
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-159.79
Dipole, Da:	1.71
IP(EA), eV:	-9.02(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations