Geometry & MOs

Info

ID:	305889
PubChem CID:	124972914
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-92.98
Dipole, Da:	4.46
IP(EA), eV:	-9.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2R)-1-(1-phenylcyclohexanecarbonyl)pyrrolidin-2-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=CC(=O)N3C=CN=C3N2)C(=O)C4CCOCC4

DOS

IR

Vibrations