Geometry & MOs

Info

ID:	415711
PubChem CID:	135088711
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	7.53
IP(EA), eV:	-8.89(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-hydroxyethyl(1H-imidazol-2-ylmethyl)amino]-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC)Cl

DOS

IR

Vibrations