Geometry & MOs

Info

ID:	434280
PubChem CID:	135174578
Reduced:	P2N10O11C20H26 (1)
Stoich.:	A2B10C11D20E26 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-476.45
Dipole, Da:	9.78
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-[2-(5-tert-butyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]pyridin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O[C@H]2CC(OC2COP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations