Geometry & MOs

Info

ID:	141143
PubChem CID:	52825637
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	439.185569
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	7.62
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-4-oxobutyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)C(=O)NC3=NNC(=N3)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations