Geometry & MOs

Info

ID:	330695
PubChem CID:	127248102
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	7.0
IP(EA), eV:	-9.39(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[3-(pyrrolidine-1-carbonyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)CC2=NC=CN=C2C(=O)N3CCOCC3

DOS

IR

Vibrations