Geometry & MOs

Info

ID:	255201
PubChem CID:	103130640
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	3.76
IP(EA), eV:	-8.26(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(C(C1=NN(C=C1)C)O)N(CC)CC

DOS

IR

Vibrations