Geometry & MOs

Info

ID:	367176
PubChem CID:	127323592
Reduced:	ON4C21H32 (1)
Stoich.:	AB4C21D32 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	2.31
IP(EA), eV:	-9.55(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C34CC5CC(C3)(CC(C5)(C4)C)C

DOS

IR

Vibrations