Geometry & MOs

Info

ID:	307597
PubChem CID:	125307687
Reduced:	ClFN3O4H25C28 (1)
Stoich.:	ABC3D4E25F28 (1)
Weight, g/mol:	353.152812
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	7.63
IP(EA), eV:	-8.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-naphthalen-1-yl-4H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)[C@H]2C3=C(C(=O)N([C@H]3C4=CC=C(C=C4)F)CCC5=CC(=C(C=C5)OC)OC)N=N2)O

DOS

IR

Vibrations