Geometry & MOs

Info

ID:	130292
PubChem CID:	51075525
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	33.84
Dipole, Da:	4.64
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-methylpyrazine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=C(S1)C2=NC=CN2C)C3=CC=CC=C3

DOS

IR

Vibrations