Geometry & MOs

Info

ID:	423316
PubChem CID:	135119302
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	5.23
IP(EA), eV:	-9.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(2-methylphenoxy)butanamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCC(=O)N2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations