Geometry & MOs

Info

ID:	327415
PubChem CID:	126689835
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	412.06338
ΔH_f, kcal/mol:	-179.93
Dipole, Da:	4.15
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,8R)-3-(3-bromopropoxy)-8-hydroxy-2-methoxy-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C(=O)N3C[C@@H](C[C@H]3C1=O)O)OC)O

DOS

IR

Vibrations