Geometry & MOs

Info

ID:	308472
PubChem CID:	125333187
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	12.53
Dipole, Da:	3.24
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-methoxynaphthalen-1-yl)-3-(3-methyl-5-oxopyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C=C(N=N1)NC(=O)C2CCN(CC2)C3=NN(C(=O)C=C3)C

DOS

IR

Vibrations