Geometry & MOs

Info

ID:	270582
PubChem CID:	103637179
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	295.083602
ΔH_f, kcal/mol:	63.17
Dipole, Da:	10.67
IP(EA), eV:	-9.81(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-nitrophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations