Geometry & MOs

Info

ID:	445642
PubChem CID:	135268744
Reduced:	FO4N5H22C26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	140.131349
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	12.89
IP(EA), eV:	-8.55(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=C1)C(C(=O)N2)C3=C/C(=C/4\C5=C(C=C(C=C5)N6CCOCC6)NC=N4)/C(=CC3=O)F

DOS

IR

Vibrations