Geometry & MOs

Info

ID:	419670
PubChem CID:	135108685
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-93.77
Dipole, Da:	4.32
IP(EA), eV:	-8.95(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-phenylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CCN3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations