Geometry & MOs

Info

ID:	445031
PubChem CID:	135264293
Reduced:	SN3O5C34H45 (1)
Stoich.:	AB3C5D34E45 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-184.39
Dipole, Da:	5.53
IP(EA), eV:	-8.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)N2CCN(C2O)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=CC=C(S4)C(C)(C)C

DOS

IR

Vibrations