Geometry & MOs

Info

ID:	254071
PubChem CID:	103122512
Reduced:	BrON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	5.79
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-bromoethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCC(CC)N(CCBr)C(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations