Geometry & MOs

Info

ID:	308108
PubChem CID:	125316978
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	278.178299
ΔH_f, kcal/mol:	-165.39
Dipole, Da:	6.47
IP(EA), eV:	-8.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,8S)-5-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-5,13,15,17,19-pentaene

Drug info:

PubChemData

Smile

CC1=CC2=C[C@@H](C(=O)N=C2C(=C1)C)[C@H]3CC(=O)OC4=CC(=C(C(=C34)OC)OC)OC

DOS

IR

Vibrations