Geometry & MOs

Info

ID:	153468
PubChem CID:	56312685
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-31.67
Dipole, Da:	6.82
IP(EA), eV:	-8.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations