Geometry & MOs

Info

ID:	355414
PubChem CID:	127288477
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	4.06
IP(EA), eV:	-8.98(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations