Geometry & MOs

Info

ID:	192236
PubChem CID:	78248181
Reduced:	O4N6C15H16 (1)
Stoich.:	A4B6C15D16 (1)
Weight, g/mol:	390.157957
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	2.79
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxyphenyl)-2-(pyridin-4-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=NNC(=O)C[N+]2=C3C(=[N+](C(=O)N(C3=O)C)C)N=C2

DOS

IR

Vibrations