Geometry & MOs

Info

ID:	281357
PubChem CID:	103913752
Reduced:	NSC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	14.14
Dipole, Da:	1.26
IP(EA), eV:	-8.59(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCCSC

DOS

IR

Vibrations