Geometry & MOs

Info

ID:	448929
PubChem CID:	135294557
Reduced:	FOSN7C24H28 (1)
Stoich.:	ABCD7E24F28 (1)
Weight, g/mol:	100.063663
ΔH_f, kcal/mol:	21.14
Dipole, Da:	7.96
IP(EA), eV:	-8.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3-diaminobut-2-enal

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC=C2F)N/C(=C/N)/C=NC)CNC(=O)C3=CN=C(S3)C(C)(C)C

DOS

IR

Vibrations