Geometry & MOs

Info

ID:	221079
PubChem CID:	85256744
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-61.0
Dipole, Da:	7.09
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-5-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazol-1-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(C1=CC=C(C=C1)C)NC(C)C)C#N

DOS

IR

Vibrations