Geometry & MOs

Info

ID:	187441
PubChem CID:	77572087
Reduced:	SN2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	518.285718
ΔH_f, kcal/mol:	145.13
Dipole, Da:	2.75
IP(EA), eV:	-7.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C=C2C(C=CC=N2)C3=C1NC4=CC=CC=C4S3

DOS

IR

Vibrations