Geometry & MOs

Info

ID:	276915
PubChem CID:	103825757
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	16.33
Dipole, Da:	6.08
IP(EA), eV:	-8.49(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-1-N-[(1-propylpyrazol-4-yl)methyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=CC=CC=C2N3CCCC3=O

DOS

IR

Vibrations