Geometry & MOs

Info

ID:	156712
PubChem CID:	56371847
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-146.21
Dipole, Da:	7.44
IP(EA), eV:	-8.38(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)CCNC(=O)NC3=CC=CC=C3)OC

DOS

IR

Vibrations