Geometry & MOs

Info

ID:	166729
PubChem CID:	74726007
Reduced:	N2O7C25H25 (1)
Stoich.:	A2B7C25D25 (1)
Weight, g/mol:	477.04499
ΔH_f, kcal/mol:	-168.05
Dipole, Da:	4.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771729
Charge, e:	-1

Chem-info

IUPAC name:

[2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=C2C(=O)C(=O)N(C2(C(=O)OC)N3CCOCC3)C4=CC=CC=C4)[O-]

DOS

IR

Vibrations