Geometry & MOs

Info

ID:	322242
PubChem CID:	126669495
Reduced:	ClO2N6C21H29 (1)
Stoich.:	AB2C6D21E29 (1)
Weight, g/mol:	112.052429
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	4.35
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-prop-1-enyl]-1,3-dioxole

Drug info:

PubChemData

Smile

CC1(CCC(N(C1)C2CCN(CC2)C3=NNC(=N3)N)CC4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations