Geometry & MOs

Info

ID:	237802
PubChem CID:	92721630
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	4.51
IP(EA), eV:	-8.95(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-[[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC=C(C=C1)CN2CC(=O)N3CCC[C@H]3C2=O

DOS

IR

Vibrations