Geometry & MOs

Info

ID:	430416
PubChem CID:	135170480
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	150.079313
ΔH_f, kcal/mol:	11.24
Dipole, Da:	3.19
IP(EA), eV:	-10.0(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C)(C)C=C

DOS

IR

Vibrations