Geometry & MOs

Info

ID:	330102
PubChem CID:	127247089
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-19.18
Dipole, Da:	5.46
IP(EA), eV:	-8.87(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)CN2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations