Geometry & MOs

Info

ID:	47814
PubChem CID:	10535458
Reduced:	NO4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	3.55
IP(EA), eV:	-9.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybut-2-enenitrile

Drug info:

PubChemData

Smile

COC(=O)C(=O)NCC1=CC=CO1

DOS

IR

Vibrations