Geometry & MOs

Info

ID:	270631
PubChem CID:	103637396
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	257.118257
ΔH_f, kcal/mol:	-52.4
Dipole, Da:	4.29
IP(EA), eV:	-9.52(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(5-methoxypentylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC(C)CC(CNCC1=CC=CC=C1[N+](=O)[O-])O

DOS

IR

Vibrations