Geometry & MOs

Info

ID:	123059
PubChem CID:	50831752
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	462.237939
ΔH_f, kcal/mol:	-17.72
Dipole, Da:	3.8
IP(EA), eV:	-8.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2N=CN(C3=O)CC4=NC(=NO4)C(C)C)CC(=O)N5CCCC5

DOS

IR

Vibrations