Geometry & MOs

Info

ID:	149124
PubChem CID:	53788796
Reduced:	O7C48H78 (1)
Stoich.:	A7B48C78 (1)
Weight, g/mol:	259.040006
ΔH_f, kcal/mol:	-446.61
Dipole, Da:	4.54
IP(EA), eV:	-10.1(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)iminomethyl]benzoic acid

Drug info:

Smile

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CC[C@@H](C)[C@H]5CCC6[C@@]5([C@H](CC7C6CC[C@H]8[C@@]7(CC[C@H](C8)O)C)O)C)C)O)C

DOS

IR

Vibrations