Geometry & MOs

Info

ID:	280857
PubChem CID:	103851636
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	4.66
Dipole, Da:	3.0
IP(EA), eV:	-9.4(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations