Geometry & MOs

Info

ID:	14714
PubChem CID:	418723
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	5.17
IP(EA), eV:	-8.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2CC3CNCCN3C2C4=CC=CC=C4

DOS

IR

Vibrations