Geometry & MOs

Info

ID:	2050
PubChem CID:	5668
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	4.13
IP(EA), eV:	-8.28(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate

Drug info:

PubChemData

Smile

CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O

DOS

IR

Vibrations