Geometry & MOs

Info

ID:	330070
PubChem CID:	127247057
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	5.98
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C(=O)CC3(CCCCC3)O

DOS

IR

Vibrations