Geometry & MOs

Info

ID:	441356
PubChem CID:	135234313
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	60.49
Dipole, Da:	3.75
IP(EA), eV:	-7.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(5-phenyl-1H-pyrrol-3-yl)phenoxy]acetate

Drug info:

PubChemData

Smile

COC1=C2C=C(C=CC2=NC=C1)/C(=C(\C3=CC=CC=C3)/N=C(N)N)/N

DOS

IR

Vibrations