Geometry & MOs

Info

ID:	396445
PubChem CID:	135028425
Reduced:	O2N3H21C27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	419.163377
ΔH_f, kcal/mol:	55.16
Dipole, Da:	6.04
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-4-(1H-indole-3-carbonyl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C(C2C(=O)C3=CNC4=CC=CC=C43)N)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations