Geometry & MOs

Info

ID:	142961
PubChem CID:	53123540
Reduced:	FO3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-69.84
Dipole, Da:	4.28
IP(EA), eV:	-9.61(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-1-(4-ethoxyphenyl)-5-pyridin-4-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

DOS

IR

Vibrations