Geometry & MOs

Info

ID:	48305
PubChem CID:	10538782
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	80.41
Dipole, Da:	3.14
IP(EA), eV:	-8.91(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7R)-4,6,11-trimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1=C(NN=C1)CCC2=CC=CC=C2

DOS

IR

Vibrations