Geometry & MOs

Info

ID:	418340
PubChem CID:	135104232
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-48.62
Dipole, Da:	4.47
IP(EA), eV:	-8.76(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4)C

DOS

IR

Vibrations