Geometry & MOs

Info

ID:	414673
PubChem CID:	135087632
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	5.02
IP(EA), eV:	-9.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=C(C=CN=C3C)C4=CC=CC=C4

DOS

IR

Vibrations