Geometry & MOs

Info

ID:	69200
PubChem CID:	46530435
Reduced:	N3O3H19C23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-17.51
Dipole, Da:	5.73
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

DOS

IR

Vibrations