Geometry & MOs

Info

ID:	307604
PubChem CID:	125307717
Reduced:	NO3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	460.163436
ΔH_f, kcal/mol:	-158.83
Dipole, Da:	7.54
IP(EA), eV:	-9.27(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,9aR)-2-[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3C[C@@H]4C(=C5C=CC=CC5=N4)C[C@H]3C(=O)OC

DOS

IR

Vibrations