Geometry & MOs

Info

ID:	368421
PubChem CID:	127328504
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	69.16
Dipole, Da:	7.21
IP(EA), eV:	-9.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations