Geometry & MOs

Info

ID:	136218
PubChem CID:	52000012
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	45.23
Dipole, Da:	8.2
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]-1-methyl-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CSCC(=O)N2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations