Geometry & MOs

Info

ID:	445656
PubChem CID:	135268771
Reduced:	FON4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	300.139326
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	1.89
IP(EA), eV:	-7.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=C)N4CC(C=C4N2C)(C)C

DOS

IR

Vibrations