Geometry & MOs

Info

ID:	281401
PubChem CID:	103913816
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-77.28
Dipole, Da:	4.31
IP(EA), eV:	-8.28(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[1-(pent-4-ynylamino)ethyl]phenol

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(C)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations