Geometry & MOs

Info

ID:	123066
PubChem CID:	50831985
Reduced:	O5N6H24C25 (1)
Stoich.:	A5B6C24D25 (1)
Weight, g/mol:	486.201553
ΔH_f, kcal/mol:	-56.18
Dipole, Da:	5.6
IP(EA), eV:	-8.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)OC)CC(=O)NC5=CC=CC=C5OC

DOS

IR

Vibrations