Geometry & MOs

Info

ID:	342562
PubChem CID:	127265722
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	18.95
Dipole, Da:	1.29
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)CC#C)C(=O)C=CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations