Geometry & MOs

Info

ID:	365947
PubChem CID:	127319234
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-90.67
Dipole, Da:	3.07
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)C2=CC=NC=C2)NC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations