Geometry & MOs

Info

ID:	367627
PubChem CID:	127325117
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	6.3
IP(EA), eV:	-9.2(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-pyridin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCCC(C2)O)C

DOS

IR

Vibrations