Geometry & MOs

Info

ID:	422227
PubChem CID:	135117443
Reduced:	O2N7C20H23 (1)
Stoich.:	A2B7C20D23 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	8.61
Dipole, Da:	5.1
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(3-phenylmethoxypropyl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)N3CCCC4(C3)CCC5=CN=C(N=C45)N)C(=O)O)C

DOS

IR

Vibrations