Geometry & MOs

Info

ID:	133774
PubChem CID:	51588165
Reduced:	ON7C22H29 (1)
Stoich.:	AB7C22D29 (1)
Weight, g/mol:	408.251184
ΔH_f, kcal/mol:	61.6
Dipole, Da:	4.6
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(S)-[2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-4-ium-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@@H](C2=CC=CC=C2N3CCN(CC3)CC4=CN=C(N=C4)N(C)C)O

DOS

IR

Vibrations