Geometry & MOs

Info

ID:	236549
PubChem CID:	92713892
Reduced:	N4O5H16C19 (1)
Stoich.:	A4B5C16D19 (1)
Weight, g/mol:	397.04259
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	5.53
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-bromo-3-methylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations