Geometry & MOs

Info

ID:	123070
PubChem CID:	50831989
Reduced:	O3N6C26H26 (1)
Stoich.:	A3B6C26D26 (1)
Weight, g/mol:	490.152016
ΔH_f, kcal/mol:	-3.14
Dipole, Da:	2.87
IP(EA), eV:	-8.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=C(C=C(C=C3)C)C4=C2C(=O)N(C=N4)CC5=NC(=NO5)C(C)C

DOS

IR

Vibrations