Geometry & MOs

Info

ID:	417944
PubChem CID:	135103157
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	14.9
Dipole, Da:	6.79
IP(EA), eV:	-9.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=C(C=C3)C4=NC=NN4

DOS

IR

Vibrations