Geometry & MOs

Info

ID:	415028
PubChem CID:	135088008
Reduced:	ClN2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	320.115237
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	2.01
IP(EA), eV:	-8.66(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)CN(C)C2C[C@H]3CC(C[C@H]3C2)N(C)C

DOS

IR

Vibrations