Geometry & MOs

Info

ID:	71018
PubChem CID:	48414185
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	4.88
IP(EA), eV:	-9.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)COCC2=CC(=CC=C2)OC

DOS

IR

Vibrations