Geometry & MOs

Info

ID:	225973
PubChem CID:	87246512
Reduced:	SiO3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	617.267842
ΔH_f, kcal/mol:	-112.82
Dipole, Da:	4.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753321
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3,5-bis(4-methoxyphenyl)-5-phenyl-1,2-dihydropyrrol-2-yl]-3-(4-methoxyphenyl)-5-phenylpyrrol-2-imine

Drug info:

PubChemData

Smile

C[Si](C)OC(=O)C=C=O

DOS

IR

Vibrations