Geometry & MOs

Info

ID:	449444
PubChem CID:	135298646
Reduced:	NO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	341.141579
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	3.97
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-4-oxo-14-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),7,9,11,13,15,17,19-octaen-2-yl)acetaldehyde

Drug info:

PubChemData

Smile

CC12CC(=O)CC1(C3=C(C4=C2C=C(C=C4)C(C)(C)C)N=CC=C3)CC=O

DOS

IR

Vibrations