Geometry & MOs

Info

ID:	199454
PubChem CID:	79248077
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	240.195011
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	7.64
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-amino-5-methyl-2-propylpyrazol-3-yl)amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(CCC(C2O)N3C=NC=N3)C=C1

DOS

IR

Vibrations