Geometry & MOs

Info

ID:	271400
PubChem CID:	103674735
Reduced:	FOSN2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	4.29
IP(EA), eV:	-8.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)C2=CN=C(C=C2)F

DOS

IR

Vibrations