Geometry & MOs

Info

ID:	283025
PubChem CID:	103953680
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-62.57
Dipole, Da:	5.91
IP(EA), eV:	-8.69(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(hex-5-ynylamino)methyl]phenol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NCC2=C(C(=C(C=C2)O)O)O

DOS

IR

Vibrations