Geometry & MOs

Info

ID:	221045
PubChem CID:	85256601
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	5.1
IP(EA), eV:	-9.41(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(3-methyl-2,4-dihydropyrimidin-5-ylidene)-3H-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCC=C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations