Geometry & MOs

Info

ID:	237809
PubChem CID:	92721663
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	4.36
IP(EA), eV:	-9.63(-0.35)
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-[(2S)-2-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3CC(=O)N4CCC[C@@H]4C3=O

DOS

IR

Vibrations