Geometry & MOs

Info

ID:	383413
PubChem CID:	134975119
Reduced:	N2H22C25 (1)
Stoich.:	A2B22C25 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	85.72
Dipole, Da:	3.74
IP(EA), eV:	-8.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=C(C5=CC=CC=C5N4)C

DOS

IR

Vibrations