Geometry & MOs

Info

ID:	69630
PubChem CID:	47205053
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	5.87
IP(EA), eV:	-9.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)methylsulfanyl]-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations