Geometry & MOs

Info

ID:	348827
PubChem CID:	127274475
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	2.65
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(2-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(OC=N2)C

DOS

IR

Vibrations