Geometry & MOs

Info

ID:	127909
PubChem CID:	51022759
Reduced:	BBrNO4C30H43 (1)
Stoich.:	ABCD4E30F43 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-252.8
Dipole, Da:	7.95
IP(EA), eV:	-9.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-[(2,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)[C@H](CCCBr)NC(=O)C4=CC=C(C=C4)C56CCC(CC5)(CC6)OC

DOS

IR

Vibrations