Geometry & MOs

Info

ID:	237793
PubChem CID:	92721535
Reduced:	N3O4C24H35 (1)
Stoich.:	A3B4C24D35 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-145.67
Dipole, Da:	4.22
IP(EA), eV:	-8.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(8aR)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-[3-(diethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=CC3=C(N2C[C@@]1(C)C(=O)NC4CCCCCC4)C=C(O3)C

DOS

IR

Vibrations