Geometry & MOs

Info

ID:	423433
PubChem CID:	135119495
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-174.17
Dipole, Da:	5.29
IP(EA), eV:	-9.6(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)N2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations