Geometry & MOs

Info

ID:	438974
PubChem CID:	135228735
Reduced:	O2N3C27H33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-41.58
Dipole, Da:	6.78
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2E)-4-(3-methoxy-4-nitrosophenyl)-2-[(3-methoxy-4-nitrosophenyl)methylidene]-3-methylbut-3-enoate

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)CC)C4=CC=NN4C)C(C)(C)C

DOS

IR

Vibrations