Geometry & MOs

Info

ID:	126750
PubChem CID:	50976673
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	294.184447
ΔH_f, kcal/mol:	-87.14
Dipole, Da:	4.82
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-4-yl)methyl]-N-(quinolin-2-ylmethyl)propan-2-amine

Drug info:

PubChemData

Smile

CO[C@H]1COC[C@@H]1N2C=NC(=C2C3=CC=C(C=C3)OCCO)C4=CC=CC=C4

DOS

IR

Vibrations