Geometry & MOs

Info

ID:	396444
PubChem CID:	135028424
Reduced:	O2N3H21C27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	419.163377
ΔH_f, kcal/mol:	58.5
Dipole, Da:	9.41
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-5-benzoyl-4-(4-methylphenyl)-3H-pyrrol-3-yl]-(1H-indol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C(\C(=O)C2=CC=CC=C2)/N)/C(C#N)C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations