Geometry & MOs

Info

ID:	359585
PubChem CID:	127298859
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	5.58
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations