Geometry & MOs

Info

ID:	287909
PubChem CID:	104298404
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	5.57
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyprop-1-ynyl)-3-methyl-N-(1,2-oxazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)(C)N(C)C)C#CCO

DOS

IR

Vibrations