Geometry & MOs

Info

ID:	300456
PubChem CID:	121283795
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-8.36
Dipole, Da:	5.3
IP(EA), eV:	-9.45(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,5-dimethylpyrrol-1-yl)-2-methylpyrazol-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)O)C2=NN=C(C=C2)C#N

DOS

IR

Vibrations