Geometry & MOs

Info

ID:	270630
PubChem CID:	103637390
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-154.61
Dipole, Da:	2.29
IP(EA), eV:	-8.55(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[(2-nitrophenyl)methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)CC(CNCC1=CC2=C(C=C1O)OCO2)O

DOS

IR

Vibrations