Geometry & MOs

Info

ID:	141674
PubChem CID:	52912023
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	339.057468
ΔH_f, kcal/mol:	-35.61
Dipole, Da:	6.3
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-benzoyl-4-(2-chloro-6-fluorophenyl)-1H-pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N[C@@H]2CCC[C@@]3(C2)CCN(C3=O)C4=NC(=CN=C4)C

DOS

IR

Vibrations