Geometry & MOs

Info

ID:	30535
PubChem CID:	841463
Reduced:	ClFNOSH13C17 (1)
Stoich.:	ABCDEF13G17 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	2.84
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-naphthalen-1-ylurea

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

DOS

IR

Vibrations