Geometry & MOs

Info

ID:	418129
PubChem CID:	135103637
Reduced:	O5N6C27H32 (1)
Stoich.:	A5B6C27D32 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-117.52
Dipole, Da:	4.9
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations