Geometry & MOs

Info

ID:	203920
PubChem CID:	79891052
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	33.55
Dipole, Da:	2.75
IP(EA), eV:	-8.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(5-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)C2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations