Geometry & MOs

Info

ID:	331256
PubChem CID:	127248663
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	15.73
Dipole, Da:	8.12
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations