Geometry & MOs

Info

ID:	419592
PubChem CID:	135108526
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-40.75
Dipole, Da:	6.24
IP(EA), eV:	-8.73(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-(1H-imidazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-2-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations