Geometry & MOs

Info

ID:	436964
PubChem CID:	135213363
Reduced:	N7C31H61 (1)
Stoich.:	A7B31C61 (1)
Weight, g/mol:	281.21435
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	3.75
IP(EA), eV:	-8.2(2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3,4,18-trimethyl-18-azatricyclo[9.7.0.012,17]octadeca-1(11),3,12,14,16-pentaene

Drug info:

PubChemData

Smile

C[C@H](CCC(C)C1CN(CCN1)C(C)C)N2CC3(CC3)NCC2CC(C)N4CCN(CC4)CN5CCCC5

DOS

IR

Vibrations