Geometry & MOs

Info

ID:	417651
PubChem CID:	135102389
Reduced:	ON6C14H22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	31.77
Dipole, Da:	5.46
IP(EA), eV:	-8.64(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CN(C)CC(=O)NC2=NN(C=C2)C

DOS

IR

Vibrations