Geometry & MOs

Info

ID:	364998
PubChem CID:	127316648
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-87.5
Dipole, Da:	2.48
IP(EA), eV:	-8.88(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)CC2C(=O)NC3=CC=CC=C3O2)C4=CC=CC=C4

DOS

IR

Vibrations