Geometry & MOs

Info

ID:	38409
PubChem CID:	8035797
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-106.34
Dipole, Da:	1.61
IP(EA), eV:	-9.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]anilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)N(CC1=CN=CC=C1)C2CC2

DOS

IR

Vibrations