Geometry & MOs

Info

ID:	19136
PubChem CID:	555295
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	5.97
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 18-(acetyloxymethyl)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

Drug info:

PubChemData

Smile

CC=C1CN2CCC34C5=CC=CC=C5N=C3C2CC1C4(COC(=O)C)C(=O)OC

DOS

IR

Vibrations