Geometry & MOs

Info

ID:	226141
PubChem CID:	87325894
Reduced:	INSO2C9H23 (1)
Stoich.:	ABCD2E9F23 (1)
Weight, g/mol:	367.139287
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	7.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751086
Charge, e:	0

Chem-info

IUPAC name:

N-[7-(cyclopropylamino)-3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCCC(=O)O.C[N+](C)(C)CCS.I

DOS

IR

Vibrations