Geometry & MOs

Info

ID:	383144
PubChem CID:	134974705
Reduced:	O2N4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	6.66
Dipole, Da:	4.66
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N'-methyl-N-(5-methyl-6-oxo-12H-indolo[1,2-c]quinazolin-5-ium-12-yl)carbamimidate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@]34C(C5=CC=CC=C5N3C1=O)N(C(=O)N4C)CC6=CC=CC=C6

DOS

IR

Vibrations