Geometry & MOs

Info

ID:	235326
PubChem CID:	92309416
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-77.19
Dipole, Da:	4.96
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylindazol-1-yl)-5-oxo-N-[(1S)-1-phenylethyl]pentanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CCCC(=O)N2C3=C(C=C(C=C3)C)C=N2

DOS

IR

Vibrations