Geometry & MOs

Info

ID:	305481
PubChem CID:	124956066
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	1.23
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)[C@@H]3CN(CCO3)C(=O)CCOC

DOS

IR

Vibrations