Geometry & MOs

Info

ID:	183853
PubChem CID:	77081427
Reduced:	SO2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	61.91
Dipole, Da:	3.38
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(dimethylamino)-1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=C(C=N2)CNC(=O)C3=CC(=NN3)C4=CSC=C4

DOS

IR

Vibrations