Geometry & MOs

Info

ID:	437985
PubChem CID:	135227438
Reduced:	N2F3O3H19C23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	125.095297
ΔH_f, kcal/mol:	-220.55
Dipole, Da:	3.2
IP(EA), eV:	-9.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N'-[(1Z)-buta-1,3-dienyl]ethanimidamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CN2CC3=C(C=CC(=C3)C4=C(C=C(C=C4)OC(F)(F)F)C)OC2=O

DOS

IR

Vibrations