Geometry & MOs

Info

ID:	401970
PubChem CID:	135053630
Reduced:	FNOH20C21 (1)
Stoich.:	ABCD20E21 (1)
Weight, g/mol:	508.07864
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	2.83
IP(EA), eV:	-8.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-(5-bromo-2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C(=O)C)C)CC2=CC=CC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations