Geometry & MOs

Info

ID:	126412
PubChem CID:	50964084
Reduced:	ClO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	1.54
IP(EA), eV:	-8.77(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)CN2CC[C@H]([C@@H](C2)O)C3=CC(=CC=C3)OC)Cl

DOS

IR

Vibrations