Geometry & MOs

Info

ID:	337654
PubChem CID:	127258277
Reduced:	ClN2O7C27H35 (1)
Stoich.:	AB2C7D27E35 (1)
Weight, g/mol:	570.247835
ΔH_f, kcal/mol:	-254.35
Dipole, Da:	5.22
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;1-(furan-2-yl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCCOCCO)CC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations