Geometry & MOs

Info

ID:	188205
PubChem CID:	77681246
Reduced:	ClSO3N4C19H25 (1)
Stoich.:	ABC3D4E19F25 (1)
Weight, g/mol:	382.13682
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	3.66
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[[4-[4-(dimethylamino)but-2-enoxy]cyclohexyl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)NC(=O)NCCC(CO)N2CC(C2)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations