Geometry & MOs

Info

ID:	252841
PubChem CID:	103114520
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-41.28
Dipole, Da:	5.45
IP(EA), eV:	-9.84(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[[(2-methyl-3-nitrophenyl)methylamino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=CC(=CS2)C(=O)O

DOS

IR

Vibrations