Geometry & MOs

Info

ID:	359581
PubChem CID:	127298855
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	5.71
IP(EA), eV:	-8.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-3-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations