Geometry & MOs

Info

ID:	401659
PubChem CID:	135051996
Reduced:	ClO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	412.138284
ΔH_f, kcal/mol:	57.61
Dipole, Da:	6.45
IP(EA), eV:	-8.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-methoxyphenoxy)-3-[C-(4-methoxyphenoxy)carbonimidoyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)/C(=C(\C2=CC=C(C=C2)Cl)/NNC3=CC=CC=C3)/N=O)C

DOS

IR

Vibrations