Geometry & MOs

Info

ID:	252866
PubChem CID:	103114699
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-10.61
Dipole, Da:	4.57
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpyrazol-4-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations