Geometry & MOs

Info

ID:	141642
PubChem CID:	52906872
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	1.98
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CN(C2CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations