Geometry & MOs

Info

ID:	170983
PubChem CID:	75307674
Reduced:	BrN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-55.65
Dipole, Da:	6.68
IP(EA), eV:	-9.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(2-methoxy-2-oxoethyl)-4-methyl-1,3-dioxo-4,7,11b,11c-tetrahydro-3aH-pyrrolo[3,4-a]phenanthridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2C(=O)N(CC(CN2C1C3=CC=C(C=C3)Br)O)CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations