Geometry & MOs

Info

ID:	392607
PubChem CID:	135017337
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	3.39
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),4,6,8,15,17,19-heptaen-10-one

Drug info:

PubChemData

Smile

CCCCCC[C@H]1CC(=O)N(C1O)C2=CC=CC=C2

DOS

IR

Vibrations