Geometry & MOs

Info

ID:	257401
PubChem CID:	103145838
Reduced:	N2O3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	221.091275
ΔH_f, kcal/mol:	-153.11
Dipole, Da:	2.16
IP(EA), eV:	-8.9(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)CNC2CCCCCC2NC(=O)OC(C)(C)C

DOS

IR

Vibrations