Geometry & MOs

Info

ID:	443016
PubChem CID:	135257416
Reduced:	ON3H27C33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	198.111676
ΔH_f, kcal/mol:	97.25
Dipole, Da:	1.49
IP(EA), eV:	-7.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-4-oxa-2,8,12-triazatricyclo[7.3.0.03,7]dodec-6-en-5-ol

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C(C=C7)O)N)C

DOS

IR

Vibrations