Geometry & MOs

Info

ID:	337660
PubChem CID:	127258283
Reduced:	NF2O5C27H27 (1)
Stoich.:	AB2C5D27E27 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-204.88
Dipole, Da:	2.3
IP(EA), eV:	-9.35(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(morpholin-4-ylmethylidene)butanal

Drug info:

PubChemData

Smile

CCN(CCC1=CC=CC=C1)OCC2=C(C=C(C=C2)F)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations