Geometry & MOs

Info

ID:	42596
PubChem CID:	8149751
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	243.160972
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	1.89
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[(1S)-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)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations