Geometry & MOs

Info

ID:	25380
PubChem CID:	623909
Reduced:	SN4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	383.188529
ΔH_f, kcal/mol:	15.17
Dipole, Da:	3.67
IP(EA), eV:	-8.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)N

DOS

IR

Vibrations