Geometry & MOs

Info

ID:	331269
PubChem CID:	127248676
Reduced:	FON6C23H27 (1)
Stoich.:	ABC6D23E27 (1)
Weight, g/mol:	436.168145
ΔH_f, kcal/mol:	-1.8
Dipole, Da:	4.85
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations