Geometry & MOs

Info

ID:	167201
PubChem CID:	74793222
Reduced:	N2O3C28H38 (1)
Stoich.:	A2B3C28D38 (1)
Weight, g/mol:	451.228006
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	2.49
IP(EA), eV:	-8.39(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OC)CN2CCC3(CC2)C(C(C4=CC=CC=C34)NC(=O)C(C)C)OC

DOS

IR

Vibrations