Geometry & MOs

Info

ID:	127978
PubChem CID:	51025508
Reduced:	NO5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	264.102941
ΔH_f, kcal/mol:	-158.32
Dipole, Da:	2.81
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(4-chlorophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)OC2=CC=C(C=C2)N3C(=O)[C@@H]4[C@@H]5CC[C@H](C5)[C@H]4C3=O)C

DOS

IR

Vibrations