Geometry & MOs

Info

ID:	243032
PubChem CID:	99215216
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	455.294806
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	4.97
IP(EA), eV:	-8.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)F

DOS

IR

Vibrations