Geometry & MOs

Info

ID:	197256
PubChem CID:	78943328
Reduced:	ClO2N3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	6.24
IP(EA), eV:	-8.75(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(pyridin-4-ylmethylamino)propyl]phenol

Drug info:

PubChemData

Smile

CCN(CC)CC(C)NCC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations