Geometry & MOs

Info

ID:	376468
PubChem CID:	134222482
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-85.03
Dipole, Da:	3.11
IP(EA), eV:	-9.49(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8S,9S,9aR)-3-ethyl-8,9-dihydroxy-7-(hydroxymethyl)-2,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-d][1,4]diazepin-5-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](N([C@@H]([C@@H]1OCC2=CC=CC=C2)CC=C)C(=O)OCC3=CC=CC=C3)C

DOS

IR

Vibrations