Geometry & MOs

Info

ID:	280219
PubChem CID:	103847775
Reduced:	N2O5C12H16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	9.48
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-4-nitroanilino)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NCC2(CCOC2)O)[N+](=O)[O-]

DOS

IR

Vibrations