Geometry & MOs

Info

ID:	293689
PubChem CID:	117396717
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-45.24
Dipole, Da:	2.17
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminopropyl)-2-phenylmethoxyphenol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2C3CCNC3)OC

DOS

IR

Vibrations