Geometry & MOs

Info

ID:	243033
PubChem CID:	99215226
Reduced:	FO2N3C27H38 (1)
Stoich.:	AB2C3D27E38 (1)
Weight, g/mol:	455.294806
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	5.4
IP(EA), eV:	-8.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC[C@H]1CCN(C1)C2=CC=C(C=C2)F)NC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations