Geometry & MOs

Info

ID:	127836
PubChem CID:	51018996
Reduced:	Cl2O3N5C36H37 (1)
Stoich.:	A2B3C5D36E37 (1)
Weight, g/mol:	146.084398
ΔH_f, kcal/mol:	17.94
Dipole, Da:	7.72
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-3-methyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4,8-triene

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)C5=CC=C(C=C5)CCC6=NC(=NO6)C7=C(C(=CC=C7)Cl)Cl

DOS

IR

Vibrations