Geometry & MOs

Info

ID:	234628
PubChem CID:	92303197
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	9.79
Dipole, Da:	3.75
IP(EA), eV:	-8.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)[C@H]2N=C(N=C3N2C4=CC=CC=C4N3)N)OC

DOS

IR

Vibrations