Geometry & MOs

Info

ID:	331265
PubChem CID:	127248672
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	-29.84
Dipole, Da:	3.71
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CN3CCCC3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations