Geometry & MOs

Info

ID:	271557
PubChem CID:	103683969
Reduced:	ON2S2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	258.132805
ΔH_f, kcal/mol:	35.32
Dipole, Da:	1.69
IP(EA), eV:	-8.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1SC=C2)NCC(C3=CSC=C3)O

DOS

IR

Vibrations