Geometry & MOs

Info

ID:	346443
PubChem CID:	127270947
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	2.58
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-methyl-1H-indazole-7-carbonyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C3N2C=CC=C3)C(=O)CC45CC6CC(C4)CC(C6)(C5)O

DOS

IR

Vibrations