Geometry & MOs

Info

ID:	325277
PubChem CID:	126682454
Reduced:	N2O14C23H34 (1)
Stoich.:	A2B14C23D34 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-581.08
Dipole, Da:	4.32
IP(EA), eV:	-9.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[1-[4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoyl]piperidin-4-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)NC1C(CC2(OC(C(C1O2)O)CO)C(=O)OC3=CC(OC3=O)C(C(C(C(CO)O)O)O)NC(=O)C)O

DOS

IR

Vibrations