Geometry & MOs

Info

ID:	168414
PubChem CID:	74965412
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	420.123215
ΔH_f, kcal/mol:	-27.38
Dipole, Da:	7.6
IP(EA), eV:	-8.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichloroanilino)-6-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C2CC(=O)NC(N2)NC3=CC=C(C=C3)OC)N4CCCC4

DOS

IR

Vibrations