Geometry & MOs

Info

ID:	274036
PubChem CID:	103806618
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-74.97
Dipole, Da:	4.87
IP(EA), eV:	-9.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNCC1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations