Geometry & MOs

Info

ID:	449786
PubChem CID:	135301460
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	371.1674
ΔH_f, kcal/mol:	-53.11
Dipole, Da:	4.4
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-10-azahexacyclo[17.2.2.01,18.02,11.04,9.012,17]tricosa-2,4,6,8,10,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C3=C(C=CC=N3)C4C25CC(=O)CCC4C(=O)C5

DOS

IR

Vibrations