Geometry & MOs

Info

ID:	15532
PubChem CID:	443325
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	3.33
IP(EA), eV:	-8.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,12S,19R)-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

Drug info:

PubChemData

Smile

CC([C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC)O

DOS

IR

Vibrations