Geometry & MOs

Info

ID:	334786
PubChem CID:	127253461
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	8.43
IP(EA), eV:	-8.23(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R,10R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CCCN4C=CC=C4

DOS

IR

Vibrations