Geometry & MOs

Info

ID:	403792
PubChem CID:	135061920
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	13.21
Dipole, Da:	4.81
IP(EA), eV:	-8.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=S)NC1=CNC2=NC=CC(=C12)N3CCOCC3

DOS

IR

Vibrations