Geometry & MOs

Info

ID:	355490
PubChem CID:	127288553
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	4.13
IP(EA), eV:	-8.96(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCN2CCCC2C1)N3C=CC=N3

DOS

IR

Vibrations