Geometry & MOs

Info

ID:	81287
PubChem CID:	49854554
Reduced:	O2N7C30H43 (1)
Stoich.:	A2B7C30D43 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	3.0
IP(EA), eV:	-8.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methanesulfonic acid;(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

Drug info:

PubChemData

Smile

CCC(CC)N1CCC2(CC1)C[C@H](N(C2)CC3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5)C(=O)O

DOS

IR

Vibrations