Geometry & MOs

Info

ID:	417608
PubChem CID:	135102224
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	300.163791
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	2.76
IP(EA), eV:	-9.46(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC(=O)NC3CCCCCCC3

DOS

IR

Vibrations