Geometry & MOs

Info

ID:	32335
PubChem CID:	6436562
Reduced:	ClN2O4C30H33 (1)
Stoich.:	AB2C4D30E33 (1)
Weight, g/mol:	736.312659
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	3.99
IP(EA), eV:	-8.29(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;1-[(4-tert-butylphenyl)methyl]-4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations