Geometry & MOs

Info

ID:	346466
PubChem CID:	127270970
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	5.27
IP(EA), eV:	-8.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(diethylaminomethyl)piperidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NC2CCN(CC2)CC3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations