Geometry & MOs

Info

ID:	285085
PubChem CID:	104097156
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	1.95
IP(EA), eV:	-9.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-hydroxy-2-methylpentyl)amino]-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCCC(CNC1=NC(=CN=C1)C(=O)OC)O

DOS

IR

Vibrations