Geometry & MOs

Info

ID:	390994
PubChem CID:	135002083
Reduced:	BrNOC19H26 (1)
Stoich.:	ABCD19E26 (1)
Weight, g/mol:	427.178358
ΔH_f, kcal/mol:	14.78
Dipole, Da:	3.76
IP(EA), eV:	-8.32(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)N=C(C#CCOC)C1=CC=CC=C1Br

DOS

IR

Vibrations