Geometry & MOs

Info

ID:	296600
PubChem CID:	117585617
Reduced:	N5C14H23 (1)
Stoich.:	A5B14C23 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	36.49
Dipole, Da:	4.18
IP(EA), eV:	-8.59(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(CC1CCC1)C2=NC=NC(=C2)N3CCC(C3)N

DOS

IR

Vibrations