Geometry & MOs

Info

ID:	362586
PubChem CID:	127308343
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	3.61
IP(EA), eV:	-9.26(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations