Geometry & MOs

Info

ID:	311973
PubChem CID:	126600120
Reduced:	ClFN7H21C23 (1)
Stoich.:	ABC7D21E23 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	70.85
Dipole, Da:	5.11
IP(EA), eV:	-8.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2,3-bis(prop-2-enyl)butanedinitrile

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC4=C(C=CN=C4C5=C(C=CC(=C5)Cl)F)C(=N3)N

DOS

IR

Vibrations