Geometry & MOs

Info

ID:	359575
PubChem CID:	127298849
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	7.06
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCCC(=O)N4CCCCC4

DOS

IR

Vibrations