Geometry & MOs

Info

ID:	320242
PubChem CID:	126658931
Reduced:	N3O4C33H39 (1)
Stoich.:	A3B4C33D39 (1)
Weight, g/mol:	544.296203
ΔH_f, kcal/mol:	-118.49
Dipole, Da:	2.54
IP(EA), eV:	-8.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylpentanoyl)-2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations