Geometry & MOs

Info

ID:	294178
PubChem CID:	117431427
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	1.69
IP(EA), eV:	-9.01(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)CCON

DOS

IR

Vibrations