Geometry & MOs

Info

ID:	7609
PubChem CID:	73489
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	3.03
IP(EA), eV:	-8.16(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC

DOS

IR

Vibrations