Geometry & MOs

Info

ID:	252901
PubChem CID:	103114863
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	61.15
Dipole, Da:	5.3
IP(EA), eV:	-9.9(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=NC=NN2C

DOS

IR

Vibrations