Geometry & MOs

Info

ID:	147268
PubChem CID:	53786923
Reduced:	N2F3O5H13C14 (1)
Stoich.:	A2B3C5D13E14 (1)
Weight, g/mol:	369.278013
ΔH_f, kcal/mol:	-325.49
Dipole, Da:	2.21
IP(EA), eV:	-10.9(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dibutyl-N-[4-(4H-pyrimidin-3-yl)butyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=C1C(=O)O)OCC#N)C(F)(F)F)C(=O)O

DOS

IR

Vibrations