Geometry & MOs

Info

ID:	42588
PubChem CID:	8149743
Reduced:	OSN3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	243.160972
ΔH_f, kcal/mol:	-48.59
Dipole, Da:	2.76
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[(1R)-1-phenyl-2-(pyrimidin-2-ylamino)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)NCC(C)C

DOS

IR

Vibrations