Geometry & MOs

Info

ID:	359593
PubChem CID:	127298867
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	-102.44
Dipole, Da:	5.11
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazol-4-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCC(=O)NC4CCCCC4

DOS

IR

Vibrations