Geometry & MOs

Info

ID:	268999
PubChem CID:	103604845
Reduced:	N3H17C18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	92.03
Dipole, Da:	4.1
IP(EA), eV:	-8.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-oxazol-5-ylmethyl)-3-phenylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCCC2=CNC3=CC=CC=C32)C#N

DOS

IR

Vibrations