Geometry & MOs

Info

ID:	438695
PubChem CID:	135228446
Reduced:	ON3C24H45 (1)
Stoich.:	AB3C24D45 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	0.79
IP(EA), eV:	-8.14(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indazol-5-ylmethyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC/C=C(\C(=C/C)\N(CC)CCCCOCC)/N(CC)CN(CC=C)C=C

DOS

IR

Vibrations