Geometry & MOs

Info

ID:	305562
PubChem CID:	124960254
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	1.71
Dipole, Da:	1.95
IP(EA), eV:	-8.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-5-(1H-pyrazol-5-yl)pyrazine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCO[C@@H](C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations