Geometry & MOs

Info

ID:	71015
PubChem CID:	48414181
Reduced:	OCl2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	20.76
Dipole, Da:	2.71
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-phenoxyethoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=C(N(N=C2C)C3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations