Geometry & MOs

Info

ID:	359576
PubChem CID:	127298850
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	6.17
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCN(CC4)CC5CC5

DOS

IR

Vibrations