Geometry & MOs

Info

ID:	421300
PubChem CID:	135115747
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	1.01
Dipole, Da:	5.87
IP(EA), eV:	-9.12(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hydroxypyridin-2-yl)-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations