Geometry & MOs

Info

ID:	252862
PubChem CID:	103114679
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	35.43
Dipole, Da:	6.31
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,6-dimethylphenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=CN(C=C2)C

DOS

IR

Vibrations