Geometry & MOs

Info

ID:	344301
PubChem CID:	127267477
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	9.68
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1[C@H]2[C@@H](CCO2)NC(=O)CNC3=CC=C(C=C3)C#N

DOS

IR

Vibrations