Geometry & MOs

Info

ID:	417903
PubChem CID:	135103038
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	6.01
Dipole, Da:	5.96
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]-3-oxopropyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1CN2CCN1CC3=CC=C(C=C3)OCC4=CN(CCCOC5=C(C2=O)N=CC=C5)N=N4

DOS

IR

Vibrations