Geometry & MOs

Info

ID:	368231
PubChem CID:	127327782
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	28.52
Dipole, Da:	4.57
IP(EA), eV:	-9.25(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)NC(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations