Geometry & MOs

Info

ID:	349200
PubChem CID:	127274926
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	293.094646
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	3.24
IP(EA), eV:	-9.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations