Geometry & MOs

Info

ID:	423086
PubChem CID:	135118915
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	4.25
IP(EA), eV:	-8.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CN3CCCC(C3)C4=NC=CN4C(C)C)OCCO2

DOS

IR

Vibrations