Geometry & MOs

Info

ID:	305713
PubChem CID:	124966230
Reduced:	OF3N4C29H39 (1)
Stoich.:	AB3C4D29E39 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-184.34
Dipole, Da:	6.32
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(2R)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H]3C[C@@H]([C@@H](N3)C4=CC(=CC=C4)C(F)(F)F)C5=NN(C=C5)C(C)(C)C

DOS

IR

Vibrations