Geometry & MOs

Info

ID:	416333
PubChem CID:	135089346
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	2.59
IP(EA), eV:	-8.63(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)CNC(=O)N)OC

DOS

IR

Vibrations