Geometry & MOs

Info

ID:	148263
PubChem CID:	53787925
Reduced:	OC27H42 (1)
Stoich.:	AB27C42 (1)
Weight, g/mol:	450.132014
ΔH_f, kcal/mol:	-81.79
Dipole, Da:	3.36
IP(EA), eV:	-8.34(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-dimethylphosphorylpropyl 2-[[3-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC=CC[C@]34C)C

DOS

IR

Vibrations