Geometry & MOs

Info

ID:	62968
PubChem CID:	26737827
Reduced:	FOCl2N2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	351.231063
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	4.31
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3Cl)Cl)F)C

DOS

IR

Vibrations