Geometry & MOs

Info

ID:	447219
PubChem CID:	135281282
Reduced:	ClO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	223.106925
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	6.67
IP(EA), eV:	-8.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl] carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N)Cl)OC

DOS

IR

Vibrations