Geometry & MOs

Info

ID:	274106
PubChem CID:	103807072
Reduced:	BrClON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	4.64
IP(EA), eV:	-9.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CN)NC(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations