Geometry & MOs

Info

ID:	158013
PubChem CID:	56459403
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	414.237939
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	5.26
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1COCC1CNC(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations