Geometry & MOs

Info

ID:	342004
PubChem CID:	127264697
Reduced:	P2F6C45H46 (1)
Stoich.:	A2B6C45D46 (1)
Weight, g/mol:	294.032668
ΔH_f, kcal/mol:	-298.58
Dipole, Da:	3.32
IP(EA), eV:	-8.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2-chlorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)P(C2=CC=CC=C2C(C)C3CCCC3P(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations