Geometry & MOs

Info

ID:	423848
PubChem CID:	135120491
Reduced:	N2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	-2.28
Dipole, Da:	1.74
IP(EA), eV:	-8.55(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations