Geometry & MOs

Info

ID:	7095
PubChem CID:	71204
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	4.57
IP(EA), eV:	-8.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

Drug info:

PubChemData

Smile

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC

DOS

IR

Vibrations