Geometry & MOs

Info

ID:	219241
PubChem CID:	85096686
Reduced:	N6O7C21H24 (1)
Stoich.:	A6B7C21D24 (1)
Weight, g/mol:	476.197217
ΔH_f, kcal/mol:	-237.72
Dipole, Da:	8.57
IP(EA), eV:	-9.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrimidine-4,6-dicarboxamide

Drug info:

PubChemData

Smile

C1C(CN=C2C1C(=O)N=C(N2)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations