Geometry & MOs

Info

ID:	193124
PubChem CID:	78347245
Reduced:	BrO3N6C16H18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	433.188923
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.096280
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)CCO)NN=CC3=CC=C(C=C3)Br

DOS

IR

Vibrations