Geometry & MOs

Info

ID:	319672
PubChem CID:	126656986
Reduced:	N6O9C44H60 (1)
Stoich.:	A6B9C44D60 (1)
Weight, g/mol:	304.13872
ΔH_f, kcal/mol:	-310.79
Dipole, Da:	2.58
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,6-difluoro-4-methylphenyl)-2-(6-methyloxan-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCN(CCNC(=O)[C@H](CCCN=C(N)NC1=CC=CC=C1)NC(=O)C)C(=O)OC2=CCC3([C@H]4CC5=C6[C@]3(C2OC6=C(C=C5)OC)CC[C@H]4C)O

DOS

IR

Vibrations