Geometry & MOs

Info

ID:	423051
PubChem CID:	135118842
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	6.43
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations