Geometry & MOs

Info

ID:	181648
PubChem CID:	76769889
Reduced:	N5C30H37 (1)
Stoich.:	A5B30C37 (1)
Weight, g/mol:	347.236148
ΔH_f, kcal/mol:	101.05
Dipole, Da:	3.19
IP(EA), eV:	-8.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]tridecane

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)C3C(C4=C5C(CCCC5N3)C(=C)N=N4)C6=CC=CC=C6

DOS

IR

Vibrations