Geometry & MOs

Info

ID:	357503
PubChem CID:	127294136
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-149.53
Dipole, Da:	0.85
IP(EA), eV:	-8.35(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N(C)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations