Geometry & MOs

Info

ID:	123069
PubChem CID:	50831988
Reduced:	FO5N6H17C23 (1)
Stoich.:	AB5C6D17E23 (1)
Weight, g/mol:	470.206639
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	4.0
IP(EA), eV:	-8.5(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-methyl-4-oxo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimido[5,4-b]indol-5-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)F)CC(=O)NC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations