Geometry & MOs

Info

ID:	235343
PubChem CID:	92309491
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	2.67
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(3-methylindazol-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=NN(C2=CC=CC=C12)C(=O)CCCC(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations