Geometry & MOs

Info

ID:	414330
PubChem CID:	135087286
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-6.15
Dipole, Da:	5.04
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3-acetamidopyrrolidin-1-yl)methyl]-4-pyrazin-2-ylphenoxy]acetic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)NCC2=NC(=CS2)C(C)(C)C

DOS

IR

Vibrations