Geometry & MOs

Info

ID:	355874
PubChem CID:	127290726
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	2.86
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C)CN1CCC(CC1)NC(=O)N2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations