Geometry & MOs

Info

ID:	320776
PubChem CID:	126663320
Reduced:	FSN5O7C37H52 (1)
Stoich.:	ABC5D7E37F52 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-362.89
Dipole, Da:	12.66
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(dimethylamino)-3-naphthalen-1-ylpropanal

Drug info:

PubChemData

Smile

CC[C@H](C)C(C(=O)N(C)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H]2C[C@H](C3=C(C2)C=CC(=C3)F)C(=O)O)OC(=O)C)C(C)C)NC(=O)C4CCCCN4C

DOS

IR

Vibrations