Geometry & MOs

Info

ID:	353634
PubChem CID:	127285211
Reduced:	FON4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	3.6
IP(EA), eV:	-8.87(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C)NCC2(CCOCC2)N3CCCC3)F

DOS

IR

Vibrations