Geometry & MOs

Info

ID:	123058
PubChem CID:	50831751
Reduced:	F2O3N6H20C24 (1)
Stoich.:	A2B3C6D20E24 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	3.88
IP(EA), eV:	-8.93(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)F)CC(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations