Geometry & MOs

Info

ID:	236638
PubChem CID:	92714295
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-59.03
Dipole, Da:	3.16
IP(EA), eV:	-8.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations