Geometry & MOs

Info

ID:	244497
PubChem CID:	99355755
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	5.93
IP(EA), eV:	-8.81(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=NN2CCC3=CC=CC=C3

DOS

IR

Vibrations