Geometry & MOs

Info

ID:	124931
PubChem CID:	50904391
Reduced:	ClNOC12H13 (2)
Stoich.:	ABCD12E13 (2)
Weight, g/mol:	332.149798
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	6.31
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations