Geometry & MOs

Info

ID:	445683
PubChem CID:	135268915
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	316.193949
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	5.07
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethylphenyl)methyl]-6-methylidene-2-[(4-methylphenyl)methyl]-2,4-diazabicyclo[3.1.0]hex-1(5)-ene

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1O/C(=N/C2=C(C(=O)N(C(=O)N2C)CCCO)CCC3=CC=CC=C3)/C

DOS

IR

Vibrations