Geometry & MOs

Info

ID:	6520
PubChem CID:	68802
Reduced:	N2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	28.5
Dipole, Da:	2.11
IP(EA), eV:	-7.96(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4

DOS

IR

Vibrations