Geometry & MOs

Info

ID:	126333
PubChem CID:	50960056
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	357.264094
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	2.53
IP(EA), eV:	-9.25(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,4,5-tetramethyl-6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=C(NC(=O)NC2C3=CC=CS3)C

DOS

IR

Vibrations