Geometry & MOs

Info

ID:	123630
PubChem CID:	50856969
Reduced:	BrN3O3H18C22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	302.178299
ΔH_f, kcal/mol:	16.15
Dipole, Da:	5.62
IP(EA), eV:	-8.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1-propan-2-ylpyrrol-3-yl)-N-(4-phenylphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)OC)/C=N\NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

DOS

IR

Vibrations