Geometry & MOs

Info

ID:	12900
PubChem CID:	147988
Reduced:	NH23C24 (1)
Stoich.:	AB23C24 (1)
Weight, g/mol:	325.18305
ΔH_f, kcal/mol:	111.34
Dipole, Da:	1.64
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4,6-trimethylphenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CN2C3C2C4=CC=CC=C4C5=CC=CC=C35)C

DOS

IR

Vibrations