Geometry & MOs

Info

ID:	43613
PubChem CID:	10321546
Reduced:	N2C31H50 (1)
Stoich.:	A2B31C50 (1)
Weight, g/mol:	450.3974
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	1.81
IP(EA), eV:	-8.5(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,18E,23Z)-1,15-diazatricyclo[26.3.1.111,15]tritriaconta-4,11,18,23,28-pentaene

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N(C)CC5=CC=CC=C5)C)C)N(C)C

DOS

IR

Vibrations