Geometry & MOs

Info

ID:	205458
PubChem CID:	80107075
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	4.05
IP(EA), eV:	-9.9(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(propylaminomethyl)cyclohexyl]methyl]phenol

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1[N+](=O)[O-])NC(CO)C2=CC=CC=C2

DOS

IR

Vibrations