Geometry & MOs

Info

ID:	123015
PubChem CID:	50830489
Reduced:	O3N6H22C25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	492.131281
ΔH_f, kcal/mol:	44.12
Dipole, Da:	3.45
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N(C=N4)CC5=NC(=NO5)C6CC6

DOS

IR

Vibrations