Geometry & MOs

Info

ID:	216461
PubChem CID:	85086272
Reduced:	N5H9C16 (1)
Stoich.:	A5B9C16 (1)
Weight, g/mol:	271.141973
ΔH_f, kcal/mol:	172.94
Dipole, Da:	4.35
IP(EA), eV:	-9.78(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=N2)C=C(C#N)C(=C(C#N)C#N)N

DOS

IR

Vibrations