Geometry & MOs

Info

ID:	12898
PubChem CID:	147983
Reduced:	NH19C22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	297.15175
ΔH_f, kcal/mol:	129.53
Dipole, Da:	1.45
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations