Geometry & MOs

Info

ID:	349212
PubChem CID:	127274938
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-148.45
Dipole, Da:	6.84
IP(EA), eV:	-9.26(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCCN2C(=O)C

DOS

IR

Vibrations