Geometry & MOs

Info

ID:	445668
PubChem CID:	135268836
Reduced:	ClN5C26H36 (1)
Stoich.:	AB5C26D36 (1)
Weight, g/mol:	376.126631
ΔH_f, kcal/mol:	88.41
Dipole, Da:	2.17
IP(EA), eV:	-8.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-[1-[N-[(4-chlorophenyl)methyl]-3-(difluoromethyl)anilino]azirin-2-yl]ethenyl]methanediamine

Drug info:

PubChemData

Smile

CCCCN/C(=C(\C(=C)NC)/N(CCC1=CCC(=CN=C1)C)CC2=CC=C(C=C2)Cl)/N=C

DOS

IR

Vibrations