Geometry & MOs

Info

ID:	421282
PubChem CID:	135115689
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-40.62
Dipole, Da:	2.07
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-4-(2-methylimidazol-1-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCC(C2=CC(=CC=C2)O)O)N

DOS

IR

Vibrations