Geometry & MOs

Info

ID:	359567
PubChem CID:	127298841
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	5.48
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCCCNC4=O

DOS

IR

Vibrations