Geometry & MOs

Info

ID:	253286
PubChem CID:	103117366
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	31.34
Dipole, Da:	4.07
IP(EA), eV:	-9.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(2-piperidin-4-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C1CCCNC1)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations