Geometry & MOs

Info

ID:	392612
PubChem CID:	135017361
Reduced:	ClO2N4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	42.67
Dipole, Da:	5.88
IP(EA), eV:	-9.48(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2Z,3Z)-2,3-bis(1-phenylethylidene)butanedioate

Drug info:

PubChemData

Smile

CC1=C(C[C@H]([C@@H]1OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4Cl)COCC5=CC=CC=C5

DOS

IR

Vibrations