Geometry & MOs

Info

ID:	420286
PubChem CID:	135112254
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	8.64
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=CN1CCN(C)CC(=O)NC2=CC=CC=C2NC(=O)C

DOS

IR

Vibrations