Geometry & MOs

Info

ID:	448521
PubChem CID:	135291532
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	238.99194
ΔH_f, kcal/mol:	-256.67
Dipole, Da:	2.24
IP(EA), eV:	-9.88(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(iodomethyl)-5,6-dihydro-4H-pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H]1C[C@H](C(O1)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations