Geometry & MOs

Info

ID:	272433
PubChem CID:	103743011
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	2.19
IP(EA), eV:	-9.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(4-methyloxan-4-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCC2(CCOCC2)C)OC

DOS

IR

Vibrations