Geometry & MOs

Info

ID:	123016
PubChem CID:	50830490
Reduced:	ClO4N6H21C24 (1)
Stoich.:	AB4C6D21E24 (1)
Weight, g/mol:	472.185903
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	5.86
IP(EA), eV:	-8.52(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2N=CN(C3=O)CC4=NC(=NO4)C)CC(=O)NC5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations