Geometry & MOs

Info

ID:	367273
PubChem CID:	127324050
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	5.34
Dipole, Da:	2.81
IP(EA), eV:	-8.21(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations