Geometry & MOs

Info

ID:	47835
PubChem CID:	10535534
Reduced:	NOH3C5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	37.74
Dipole, Da:	3.7
IP(EA), eV:	-9.19(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[2-[(E)-prop-1-enyl]-1,3-dioxolan-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1=CN=CC2=C1OC3=C2C=[N+](C=C3)[O-]

DOS

IR

Vibrations