Geometry & MOs

Info

ID:	423112
PubChem CID:	135118958
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-120.28
Dipole, Da:	2.7
IP(EA), eV:	-8.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2OC)OC)N3CCC4(CC3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations