Geometry & MOs

Info

ID:	2222
PubChem CID:	6317
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	7.64
IP(EA), eV:	-9.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations