Geometry & MOs

Info

ID:	331308
PubChem CID:	127248715
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	6.64
Dipole, Da:	5.77
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)(C)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations