Geometry & MOs

Info

ID:	431610
PubChem CID:	135171698
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-99.12
Dipole, Da:	6.82
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]butanenitrile

Drug info:

PubChemData

Smile

CC/C(=C\C(=O)OC)/C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations