Geometry & MOs

Info

ID:	367187
PubChem CID:	127323953
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-33.44
Dipole, Da:	2.39
IP(EA), eV:	-8.83(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2CC2)NC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations