Geometry & MOs

Info

ID:	323885
PubChem CID:	126676438
Reduced:	N2F3O5C23H35 (1)
Stoich.:	A2B3C5D23E35 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-434.4
Dipole, Da:	7.91
IP(EA), eV:	-9.08(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-2-[(7-hydroxynaphthalen-1-yl)iminomethyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@H]1[C@@H]2CC3C[C@H](C1N(C3)C(=O)CC(F)(F)F)CC2NC(=O)OC(C)(C)C

DOS

IR

Vibrations