Geometry & MOs

Info

ID:	234538
PubChem CID:	92298634
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	542.08551
ΔH_f, kcal/mol:	-36.65
Dipole, Da:	4.49
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(12R,13S,17S)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl]phenyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H](C2)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations