Geometry & MOs

Info

ID:	415457
PubChem CID:	135088451
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	1.1
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)(C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)O

DOS

IR

Vibrations