Geometry & MOs

Info

ID:	359572
PubChem CID:	127298846
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	3.58
IP(EA), eV:	-8.6(-0.72)
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]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCNC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations