Geometry & MOs

Info

ID:	62780
PubChem CID:	26736758
Reduced:	ClFON4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	357.16079
ΔH_f, kcal/mol:	2.07
Dipole, Da:	4.74
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CN=CN3C4=CC=C(C=C4)F

DOS

IR

Vibrations