Geometry & MOs

Info

ID:	226952
PubChem CID:	87559187
Reduced:	AlNOC21H30 (1)
Stoich.:	ABCD21E30 (1)
Weight, g/mol:	378.085186
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	3.42
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(4-isocyanatophenyl)methyl] (Z)-but-2-enedioate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2C=C1)C(=O)N[Al](CC(C)C)CC(C)C

DOS

IR

Vibrations