Geometry & MOs

Info

ID:	252916
PubChem CID:	103114916
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	324.043233
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	6.83
IP(EA), eV:	-9.69(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC(=O)OC(C)C

DOS

IR

Vibrations