Geometry & MOs

Info

ID:	349537
PubChem CID:	127275424
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	255.104148
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	1.52
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=C(C=CC=N2)C

DOS

IR

Vibrations