Geometry & MOs

Info

ID:	394754
PubChem CID:	135023695
Reduced:	NO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-202.27
Dipole, Da:	3.69
IP(EA), eV:	-9.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,10R,13E)-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

CCCCOC(=O)[C@@H]1[C@@H]2C=CC3([C@H]1C(=O)N([C@H]3C(=O)OCCCC)CC4=CC=CC=C4)O2

DOS

IR

Vibrations