Geometry & MOs

Info

ID:	209719
PubChem CID:	80708430
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	0.38
Dipole, Da:	2.34
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[methyl(2-propan-2-yloxyethyl)amino]-3-nitrophenyl]methanol

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)N(C)CCOC(C)C)CC

DOS

IR

Vibrations