Geometry & MOs

Info

ID:	354084
PubChem CID:	127285888
Reduced:	OSN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	58.73
Dipole, Da:	1.51
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=C(SC=C2)C(=O)NC3=NNC(=C3)C4CC4

DOS

IR

Vibrations